restart_exx_csr.hpp File Reference

#include "source_io/restart_exx_csr.h"
#include "source_cell/unitcell.h"
#include "source_io/csr_reader.h"
#include "source_io/write_HS_sparse.h"
#include "source_lcao/module_ri/serialization_cereal.h"
#include <RI/global/Tensor.h>
#include <map>

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Namespaces
namespace	ModuleIO
	This class has two functions: restart psi from the previous calculation, and write psi to the disk.

Functions
template<typename Tdata >
void	ModuleIO::read_Hexxs_csr (const std::string &file_name, const UnitCell &ucell, const int nspin, const int nbasis, std::vector< std::map< int, std::map< TAC, RI::Tensor< Tdata > > > > &Hexxs)
	read Hexxs in CSR format
template<typename Tdata >
void	ModuleIO::read_Hexxs_cereal (const std::string &file_name, std::vector< std::map< int, std::map< TAC, RI::Tensor< Tdata > > > > &Hexxs)
	read Hexxs in cereal format
template<typename Tdata >
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, Tdata > > >	ModuleIO::calculate_RI_Tensor_sparse (const double &sparse_threshold, const std::map< int, std::map< TAC, RI::Tensor< Tdata > > > &Hexxs, const UnitCell &ucell)
template<typename Tdata >
void	ModuleIO::write_Hexxs_csr (const std::string &file_name, const UnitCell &ucell, const std::vector< std::map< int, std::map< TAC, RI::Tensor< Tdata > > > > &Hexxs)